Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNKEKIKRKLITILFVCIGMLCFGLLAGVKADNRVQMRTTINNESPLLLSPLYGN-----DNGNGLWWGNTLKGAWEAIPEDVKPYVAIELHPAKVCKPTSCIPRDTKELREWYVKMLEEA---------QSLNIPVFLVIMSAG------ERNTVPPEWLDEQFQKYSVLKGVLNIENYWIYNNQLAPHSAKYLEVCAKYGAHFIWHDH------EKWFWETIMNDPTFFEASQKYHKNLVLATKNTPIRD--DAGTDSIVSGFWLSGLCDNWGSSTDTWKWWEKHYTNTFETG---RARDMRSYASEPESMIAMEMMNVYTGGGTVYNFECAAYTFMTNDVPTPAFTKGIIPFFRHAIQNPAPSKEEVVNRTKAVFWNGEGRISSLNGFYQGLYSNDETMPLYNNGRYHILPVIHEKIDKEKISSIFPNAKILTK--NSEELSS---KVNYLNSLYPKLYEGDGYAQRVGNSWYIYNSNANINKNQQVMLPMYTNNTKSLSLDLTPHTYAVVKENPNNLHILLNNYRTDKTAMWALSGNFDASKSWKKEELE---LANWISKNYSINPVDNDFRTTTLTLKGHTGHKPQINISGDKNHYTYTE-NWDENTHVYTITVNHNGMVEMSINTEGTGPVSFPTPDKFNDGNLNIAYAKPTTQSSVDYNGDPNRAVDGNRNGNFNSGSVTHTRADNPSWWEVDLKKMDKVGLVKIYNRTDAETQRLSNFDVILYDNNRNEVAKKHVNNLSGESVSLDFKEKGARYIKVKLLTSGVPLSLAEVEVFRESDGKQSEEDIDKITEDKVVSTNKVATQSSTNYEGVAALAVDGNKDGDYGHHSVTHTKADSNAWWQVDLGEEFTVSKVDIYNRTDAEPQRLSNFDVIFLSSSGEEVFRRHFDKVVDGLLSLKVPSVGAKLVKIELKSAAIPLSLAEVEVYGSKRTPKKLSNIALTKETRQSSTDYNGFSRLAVDGNKNGDYGHHSVTHTKGDSPSWWEIDLAQTEELEKLIIYNRTDAEIQRLSNFDIIIYDSNNHEVFKQHIDSLESNNLSIDLKGLKGKKVRISLRNAGIPLSLAEVEVYTYK 4D6C Chain:A ((2-582)) ----------------------------------VDKRREINNEHPLLMMPLYANGEEFNQGKYTFWGGDTLTGKWENIPDDLKPYTVIQLHP-------DDLPKRDGAARDFYEHMLEEAAKYVNPKTGKNEPIPVILTVYTAGNMPYHTSAHWLSTSWIDKMYQKYPNLHGIFSTESYWIWANDIENKAADYLKVSAKNGGYFIWAEQNSGSAIEKAFGKN--GKIAFQKSVDKYWKNLIFMFKNTPAAEGNDSTTESYMKGLWLSNHTYQWGGLMDTWKWYETGKWKLFASGNIGKSQGDRQWLTEPESMLGEEALGVYLNGGVVYNFEHPAYTYGVNNKESLLFSEVIKEFFRYVIAHPAPSKEKVLEDTK-VFIHGDYSNKGNGKFFVNVNTDREQTPLYMTGRYNVIPAIPGVLKTDKLKESVSSSRIQIKEITSPEFSSTQARKEYLNKLYPMNYEGDIFAQKLDNRWFVYNYKVNENVKQTGKLKF---NSLEMNVEFEPHTYGIFERISNGLKVNLNNFRTNKDSLW--SNAQDANQAKKLPQLTKKGAIKWIEEHYIKDTQFGEKRVTKIVLRGIDKLPTIHSLSGTNNSYDQPSLNFDQKNHMVTITINSNGNLEFELH----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4D6C.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 3314 192270 58.02 355.40 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : 58.02 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.515

(partial model without unconserved sides chains): PDB file : Tito_4D6C.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4D6C-query.scw PDB file : Tito_Scwrl_4D6C.pdb: